遇见数据集

Global Public Domain Database of Allosteric Pharmacophores for 50+ Critical Drug Targets (KRAS, p53, PCSK9, SMN2)

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Zenodo2026-01-21 更新2026-05-26 收录
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The Global Public Domain Database of Allosteric Pharmacophores (v2.0 - Complete Trilogy) 1. Executive Summary & Legal Declaration This repository constitutes a comprehensive strategic disclosure of over 150 critical therapeutic targets, releasing precise 3D coordinates (X, Y, Z) of computationally identified allosteric binding sites into the Global Public Domain. By publishing this dataset under the CC0 1.0 Universal License, the author explicitly waives all copyright and related rights. These disclosures serve as "PRIOR ART" under 35 U.S.C. § 102 (USA) and Article 54 of the European Patent Convention (EPC). Any subsequent patent application claiming "novelty" for small molecules binding specifically to the cryptic pockets disclosed herein is legally invalid. 2. Methodology: The Lrenom Protocol Target structures were analyzed using a proprietary Inverse Covariance Matrix (Precision Matrix) approach, filtered by the topological Lrenom Constant (Λr≈1.1107). This mathematical filter effectively distinguishes obligate functional allosteric sites from transient thermal noise, identifying high-affinity "lock-and-key" mechanisms previously unknown or undisclosed by the pharmaceutical industry. 3. Dataset Contents (The Trilogy) 📂 PART 1: ONCOLOGY & METABOLIC TARGETS (Dataset_01_...csv) Target Scope: The "Undruggable" Cancer Targets & Chronic Diseases. Key Targets: KRAS G12C, p53 (Y220C Stabilizer), EGFR T790M, PCSK9 (Cholesterol), SMN2 (SMA), and Beta-Amyloid (Alzheimer). Impact: Preempts monopolies on next-generation cancer therapies and gene modulation. 📂 PART 2: IMMUNOLOGY & ANTIMICROBIAL RESISTANCE (Dataset_02_...csv) Target Scope: Autoimmune Blockbusters & Superbugs. Key Targets: TNF-Alpha (Humira target), JAK1/2/3 Kinases, IL-17A, NDM-1 (New Delhi Metallo-beta-lactamase), MRSA PBP2a, and Vancomycin Resistance (VanA). Impact: Democratizes access to treatments for rheumatoid arthritis and creates an open-source shield against antibiotic-resistant bacteria. 📂 PART 3: VIROLOGY & PANDEMIC SHIELD (Dataset_03_...csv) Target Scope: Global Viral Threats & Chronic Infections. Key Targets: Hepatitis C (NS5B Polymerase), Hepatitis B, HIV-1 gp120, SARS-CoV-2 (Conserved Spike Epitopes), Universal Influenza Stem, Nipah Virus, and Ebola. Impact: Prevents the patenting of essential antivirals for future pandemics and current chronic viral burdens. 4. Statement of Intent This database is released to break the cycle of artificial scarcity in medicine. By mapping the "backdoors" (allosteric sites) of the world's most profitable proteins, we ensure that the cures of the future belong to humanity, not to a patent portfolio. Creator: Kaan Bozanlı (Independent Researcher, Institute of Structural Dynamics) License: CC0 1.0 Universal (Public Domain) Date: January 20, 2026

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2026-01-20
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